4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine

C5H5N5O2 — CID 5311560

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1noc(-c2nonc2N)n1
InChIInChI=1S/C5H5N5O2/c1-2-7-5(11-8-2)3-4(6)10-12-9-3/h1H3,(H2,6,10)
InChIKeyBFTZTRWFVPYWHC-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.01
Rot. Bonds1

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine

4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 5311560) has the molecular formula C5H5N5O2 and a molecular weight of 167.13 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
PubChem CID5311560
Molecular FormulaC5H5N5O2
Molecular Weight167.13 g/mol
Exact Mass167.04
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1noc(-c2nonc2N)n1
InChIInChI=1S/C5H5N5O2/c1-2-7-5(11-8-2)3-4(6)10-12-9-3/h1H3,(H2,6,10)
InChIKeyBFTZTRWFVPYWHC-UHFFFAOYSA-N
XLogP0.01
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (CID 5311560) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is Cc1noc(-c2nonc2N)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is BFTZTRWFVPYWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2/c1-2-7-5(11-8-2)3-4(6)10-12-9-3/h1H3,(H2,6,10).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 167.13 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 5311560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).